4-[5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: 4-[5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-[5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-[5-[(1,3-diphenyl-4-pyrazolyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-[5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 4-[5-[(1,3-diphenylpyrazol-4-yl)methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S2/c27-20(28)12-7-13-25-22(29)19(31-23(25)30)14-17-15-26(18-10-5-2-6-11-18)24-21(17)16-8-3-1-4-9-16/h1-6,8-11,14-15H,7,12-13H2,(H,27,28)